Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02375015
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.74 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.72 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.73 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
AIH | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP1 | 0.71 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.74 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.74 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.71 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | |
AIU | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP6 | 0.71 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.74 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.7 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.72 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.72 | |
ESL | ESTRIOL | A | 1X8V | 0.71 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.77 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.77 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.73 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.7 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.74 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.72 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.76 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.7 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.81 | |
3AS | (3aS,4R,9bR)-2,2-difluoro-4-(4- hydroxyphenyl)-6-(methoxymethyl)- 1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen- 8-ol | A,B | 2QTU | 0.73 | |
EST | ESTRADIOL | A,B | 1GWR | 0.71 | |
EST | ESTRADIOL | A | 1FDS | 0.71 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.71 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | |
EST | ESTRADIOL | A,B | 1A52 | 0.71 | |
EST | ESTRADIOL | A | 1FDT | 0.71 | |
EST | ESTRADIOL | A | 2OCF | 0.71 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.71 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | |
EST | ESTRADIOL | A | 1IOL | 0.71 | |
EST | ESTRADIOL | H | 1JNN | 0.71 | |
EST | ESTRADIOL | B | 1QKT | 0.71 | |
EST | ESTRADIOL | A | 1FDW | 0.71 | |
EST | ESTRADIOL | A,B | 1AQU | 0.71 | |
EST | ESTRADIOL | A | 1LHU | 0.71 | |
EST | ESTRADIOL | A | 1A27 | 0.71 | |
EST | ESTRADIOL | L | 1JGL | 0.71 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | |
EST | ESTRADIOL | A | 2J7X | 0.71 | |
EST | ESTRADIOL | A,B | 2D06 | 0.71 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.75 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.71 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.75 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.77 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.76 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.73 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.76 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.76 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.71 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.7 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.73 |